N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide

C21H22ClN3O2S — CID 155566952

IUPACN-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nccc4sc(C)cc34)CC2)cc1Cl
InChIInChI=1S/C21H22ClN3O2S/c1-13-11-16-19(28-13)5-8-23-20(16)25-9-6-14(7-10-25)21(26)24-15-3-4-18(27-2)17(22)12-15/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,24,26)
InChIKeyZWJQRAYCVVPWPX-UHFFFAOYSA-N
MW415.95 g/mol
LogP5.12
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide (PubChem CID 155566952) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
PubChem CID155566952
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nccc4sc(C)cc34)CC2)cc1Cl
InChIInChI=1S/C21H22ClN3O2S/c1-13-11-16-19(28-13)5-8-23-20(16)25-9-6-14(7-10-25)21(26)24-15-3-4-18(27-2)17(22)12-15/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,24,26)
InChIKeyZWJQRAYCVVPWPX-UHFFFAOYSA-N
XLogP5.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.95
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 46395476
N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide
CID 155544056
1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 155546978
N-(3-chloro-4-methoxyphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333880
N-(3-chloro-4-methoxyphenyl)-1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 155537366
N-(3-chloro-4-methoxyphenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30274478
N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 46395464
N-(3-chloro-4-methoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611359
N-(3-chloro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170445
N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 155539322
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide (CID 155566952) is N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3nccc4sc(C)cc34)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
The InChIKey is ZWJQRAYCVVPWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-13-11-16-19(28-13)5-8-23-20(16)25-9-6-14(7-10-25)21(26)24-15-3-4-18(27-2)17(22)12-15/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide has a molecular weight of 415.95 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 155566952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).